"Twins" retrives similar metabolites in chemical structure.
last update : 2020.01.06
KNApSAcK CID : ex.) C00000001


and

Similarity (%) : ex.) 98
% or more




INPUT WORD = C00017316 , 50% or more
[ Metabolite Name : [1aR-(1aalpha,4alpha,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-hexahydro-4-hydroxy-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-propanoic acid ]
Number of matched data : 52

CID Metabolite Name Structural formula Metabolite Activity Similarity (%)
C00017310 [4S-(4alpha,4aalpha,5beta,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid 94.34
C00017387 1,10-Epoxy-4alpha-hydroxy-6beta-isovaleryloxyfuranoeremophilane 94.34
C00017430 6beta-Angeloyloxy-1,10b-epoxy-9-oxofuranoeremophilane 94.34
C00017312 [4S-[4alpha(Z),4aalpha,5beta,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 92.45
C00017320 [1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-propenoic acid 92.45
C00017386 [1aR-(1aalpha,4alpha,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methylpropanoic acid 92.45
C00017432 [1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-butenoic acid 92.45
C00017433 [1aR-[1aalpha,4beta,4abeta,5beta(E),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-pentenoic acid 90.91
C00017308 NSC 302301 90.57
C00017309 [4S-[4alpha(E),4aalpha,5alpha,8beta,8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-8-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 90.57
C00017313 [4S-(4alpha,4aalpha,5alpha,6alpha)]-4,4a,5,6,7,9-Hexahydro-6-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-propenoic acid 90.57
C00017377 ,[1aR-[1aalpha,3alpha(Z),4beta,4abeta,5beta,9alphaS*]]-1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-butenoic acid 90.57
C00017379 [1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid 90.57
C00017388 1a,2,4,4a,5,9-Hexahydro-4-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-butenoic acid 90.57
C00017392 [1aS-[1aalpha,4alpha,4aalpha,5alpha(Z),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-butenoic acid 90.57
C00017426 6beta-(2-Methylacryloyloxy)-9-oxoeuryopsin 90.57
C00049094 6beta-Isobutyryloxysenberginone 90.57
C00017431 1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methylpentanoic acid 89.09
C00003148 10beta-Hydroxy-6beta-isobutyryl-furanoeremophilane 88.68
C00017311 [4S-[4alpha(E),4aalpha,5beta,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-5-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 88.68
C00017314 [4S-[4alpha(Z),4aalpha,5alpha,6alpha]]-4,4a,5,6,7,9-Hexahydro-6-hydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 88.68
C00017321 [1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-butenoic acid 88.68
C00017358 [4S-[4alpha(Z),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-2-butenoic acid 88.68
C00017360 [4S-[4alpha(E),4aalpha,5alpha,8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid 88.68
C00017393 Senemorin 88.68
C00017415 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylpentanoic acid 88.68
C00017424 Adenostylone 88.68
C00017425 [4S-(4alpha,4aalpha,5alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methylbutanoic acid 88.68
C00017435 6beta-Isobutyryloxy-9,10-didehydrofuranoeremophilan-1-one 88.68
C00017322 [1aR-[1aalpha,4beta,4abeta,5beta(Z),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 4-hydroxy-2-methyl-2-butenoic acid 86.79
C00017359 [4S-(4alpha,4aalpha,5alpha,8aalpha)]-4,4a,5,6,7,8,8a,9-Octahydro-8a-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 3-methyl-2-butenoic acid 86.79
C00017381 [4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid 86.79
C00017407 [4aS-[4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid 86.79
C00017409 2alpha-(Angelyloxy)-9-oxo-10alphaH-furoeremophilane 86.79
C00017413 6beta-Angeloyloxy-10alphaH-9-oxofuranoeremophilane 86.79
C00017416 [4S-[4alpha(E),4aalpha,5alpha,8abeta]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl ester 3-methyl-2-pentenoic acid 86.79
C00017417 6beta-Isobutyroyloxy-10alphaH-9-oxofuranoeremophilane 86.79
C00017419 6beta-(2-Methylacryloyloxy)-9-oxofuranoeremophilane 86.79
C00017421 Isoadenostylone 86.79
C00017428 17,18-Epoxy-17,18-dihydroneoadenostylon 86.79
C00017429 [1aS-(1aalpha,4alpha,4aalpha,5alpha,9aS*)]-5-(Acetyloxy)-1a,2,3,4,4a,5-hexahydro-4,4a,6-trimethyl-9H-oxireno[8,8a]naphtho[2,3-b]furan-9-one 86.79
C00017436 6beta-Angeloyloxy-9,10-didehydrofuranoeremophilan-1-one 86.79
C00022383 15,16-Epoxy-20-oxo-8(17),13(16),14-labdatrien-19-oic acid methyl ester 86.79
C00022532 Secochiliolide lactone 86.79
C00050008 Bacrispine 86.79
C00017380 [1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 5-(Acetyloxy)-1a,2,4,4a,5,9-hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid 85.96
C00022551 7beta,8beta-Epoxyisochiliolide lactone 85.96
C00012123 Piptocarphin C 85.71
C00022550 8beta-Hydroxyisochiliolide lactone 85.71
C00003342 Orizabin 85.19
C00022553 8(17)-Dehydroisochiliolide lactone 85.19
C00043601 Hypopurin B
(+)-Hypopurin B		 85.19
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